SCHEMBL8659911

SCHEMBL8659911

Cn1c(=O)c2c(ncn2CP(C)(C)=O)n(C)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 11/20 0.64
▸ LMNA P02545 4/20 0.64
▸ MAPT P10636 1/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.58
▸ POLB P06746 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ PIK3CD O00329 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ CNR1 P21554 1/20 0.57
▸ ACHE P22303 1/20 0.57
▸ ADORA2A P29274 1/20 0.57
▸ ADORA1 P30542 1/20 0.57
▸ NTSR1 P30989 1/20 0.57
▸ MC3R P41968 1/20 0.57
▸ NOTUM Q6P988 1/20 0.57
▸ SIRT3 Q9NTG7 1/20 0.57
▸ GDA Q9Y2T3 1/20 0.57
▸ NR2E1 Q9Y466 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16120984 0.84 ADORA2B (0.81) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL8659627 0.83 ADORA2B (0.71) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL19533057 0.82 ADORA2B (0.73) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL8660416 0.82 PDE4A (0.60) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL16120975 0.81 ADORA2B (0.88) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL16120979 0.81 ADORA2B (0.85) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL516014 0.81 ADORA2B (0.72) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL19370573 0.81 ADORA2B (0.71) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL8659000 0.80 ADORA2B (0.59) ADORA2BLMNAMAPTPOLBACHE
SCHEMBL16121000 0.80 ADORA2B (0.85) ADORA2BLMNAMAPTSMN1; SMN2RXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728686-A TREATMENT OF MUSCULAR DYSTROPHY HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-17 — — US disclosed
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